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{
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"results": [
{
"id": "jvasp-23495",
"created_at": "2022-09-04T14:37:33.811001Z",
"updated_at": "2022-09-04T14:37:33.811022Z",
"structure_string": "Ti10 Sn6\n1.0\n4.031604 -6.982943 -0.000000\n4.031604 6.982943 -0.000000\n0.000000 0.000000 5.435944\nTi Sn\n10 6\ndirect\n-0.000000 0.758481 0.749999 Ti\n0.758481 0.758481 0.250000 Ti\n0.241518 -0.000000 0.250000 Ti\n0.758481 -0.000000 0.749999 Ti\n0.241518 0.241518 0.749999 Ti\n-0.000000 0.241518 0.250000 Ti\n0.333333 0.666666 0.000000 Ti\n0.666666 0.333333 0.500000 Ti\n0.666666 0.333333 0.000000 Ti\n0.333333 0.666666 0.500000 Ti\n-0.000000 0.390639 0.749999 Sn\n0.390639 0.390639 0.250000 Sn\n0.609360 -0.000000 0.250000 Sn\n0.390639 -0.000000 0.749999 Sn\n0.609360 0.609360 0.749999 Sn\n-0.000000 0.609360 0.250000 Sn\n",
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{
"id": "jvasp-21810",
"created_at": "2022-09-04T14:37:29.292771Z",
"updated_at": "2022-09-04T14:37:29.292796Z",
"structure_string": "Ta4 Mn8\n1.0\n2.395659 -4.149403 0.000000\n2.395659 4.149403 -0.000000\n-0.000000 -0.000000 7.886281\nTa Mn\n4 8\ndirect\n0.333333 0.666667 0.937074 Ta\n0.666667 0.333333 0.437074 Ta\n0.666667 0.333333 0.062926 Ta\n0.333333 0.666667 0.562926 Ta\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.827996 0.172004 0.750000 Mn\n0.172004 0.344009 0.250000 Mn\n0.655991 0.827996 0.250000 Mn\n0.344009 0.172004 0.750000 Mn\n0.827996 0.655991 0.750000 Mn\n0.172004 0.827996 0.250000 Mn\n",
"nsites": 12,
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"elements": [
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"density": 12.320445935638576,
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"volume": 156.78801439866103,
"volume_molar": 7.868329101580363,
"formula_full": "Ta4 Mn8",
"formula_reduced": "TaMn2",
"formula_anonymous": "AB2",
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"spacegroup": 194
},
{
"id": "jvasp-34586",
"created_at": "2022-09-04T14:37:11.324193Z",
"updated_at": "2022-09-04T14:37:11.324218Z",
"structure_string": "Zn8 S8\n1.0\n1.920298 -3.326054 0.000000\n1.920298 3.326054 -0.000000\n0.000000 0.000000 25.126885\nZn S\n8 8\ndirect\n0.333334 0.666667 0.874758 Zn\n0.000000 -0.000000 0.999612 Zn\n0.666667 0.333334 0.375239 Zn\n0.666667 0.333334 0.124755 Zn\n0.000000 -0.000000 0.250148 Zn\n0.333334 0.666667 0.500119 Zn\n0.000000 -0.000000 0.625001 Zn\n0.666667 0.333334 0.749876 Zn\n0.666667 0.333334 0.656240 S\n0.666667 0.333334 0.281608 S\n0.333334 0.666667 0.781119 S\n0.000000 -0.000000 0.156324 S\n0.666667 0.333334 0.030957 S\n0.000000 -0.000000 0.906003 S\n0.333334 0.666667 0.406480 S\n0.000000 -0.000000 0.531363 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"S"
],
"chemical_system": "S-Zn",
"density": 4.034235991075288,
"density_atomic": 0.0498486509340116,
"volume": 320.97157496158525,
"volume_molar": 12.080850027359737,
"formula_full": "Zn8 S8",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.00039,
"spacegroup": 156
},
{
"id": "jvasp-51471",
"created_at": "2022-09-04T14:37:30.053845Z",
"updated_at": "2022-09-04T14:37:30.053866Z",
"structure_string": "Y2 Pb4\n1.0\n4.513494 -0.000000 -0.000000\n0.000000 4.378228 -1.210264\n-0.000000 0.039498 8.667318\nY Pb\n2 4\ndirect\n0.250000 0.904047 0.808093 Y\n0.749999 0.095954 0.191907 Y\n0.749999 0.432510 0.865018 Pb\n0.250000 0.567491 0.134982 Pb\n0.749999 0.748674 0.497347 Pb\n0.250000 0.251327 0.502652 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Pb"
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"chemical_system": "Pb-Y",
"density": 9.746941381527966,
"density_atomic": 0.034987147277931424,
"volume": 171.49154666246753,
"volume_molar": 17.21243721919146,
"formula_full": "Y2 Pb4",
"formula_reduced": "YPb2",
"formula_anonymous": "AB2",
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"spacegroup": 63
},
{
"id": "jvasp-36114",
"created_at": "2022-09-04T14:37:33.891696Z",
"updated_at": "2022-09-04T14:37:33.891742Z",
"structure_string": "Cd1 C1\n1.0\n2.422723 2.422723 0.000000\n2.422723 0.000000 -2.422723\n-0.000000 2.422723 -2.422723\nCd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.499999 0.499999 0.499999 C\n",
"nsites": 2,
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"elements": [
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"C"
],
"chemical_system": "C-Cd",
"density": 7.264470188306181,
"density_atomic": 0.07032159508497599,
"volume": 28.44076556544569,
"volume_molar": 8.563714677863748,
"formula_full": "Cd1 C1",
"formula_reduced": "CdC",
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"spacegroup": 225
},
{
"id": "jvasp-78573",
"created_at": "2022-09-04T14:37:12.147297Z",
"updated_at": "2022-09-04T14:37:12.147311Z",
"structure_string": "Cu1 I1\n1.0\n-0.000000 2.862749 2.862749\n2.862749 -0.000000 2.862749\n2.862749 2.862749 0.000000\nCu I\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
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"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 6.7398671414470375,
"density_atomic": 0.04262360564772499,
"volume": 46.922356042085546,
"volume_molar": 14.128651643813782,
"formula_full": "Cu1 I1",
"formula_reduced": "CuI",
"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-4657",
"created_at": "2022-09-04T14:37:29.287184Z",
"updated_at": "2022-09-04T14:37:29.287213Z",
"structure_string": "Ga2 S2\n1.0\n3.515459 -0.014155 7.226723\n1.653271 3.102474 7.226723\n-0.023691 -0.014155 8.036381\nGa S\n2 2\ndirect\n0.947353 0.947347 0.947352 Ga\n0.052649 0.052649 0.052649 Ga\n0.234309 0.234307 0.234308 S\n0.765694 0.765689 0.765693 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"S"
],
"chemical_system": "Ga-S",
"density": 3.8170576268205894,
"density_atomic": 0.045166145961584685,
"volume": 88.56190659708122,
"volume_molar": 13.333306687539892,
"formula_full": "Ga2 S2",
"formula_reduced": "GaS",
"formula_anonymous": "AB",
"energy_above_hull": 0.1366311625,
"spacegroup": 166
},
{
"id": "jvasp-78775",
"created_at": "2022-09-04T14:37:18.323961Z",
"updated_at": "2022-09-04T14:37:18.323995Z",
"structure_string": "Zr1 Co1\n1.0\n3.173031 0.000000 0.000000\n0.000000 3.173031 0.000000\n-0.000000 0.000000 3.173031\nZr Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
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"elements": [
"Zr",
"Co"
],
"chemical_system": "Co-Zr",
"density": 7.804989066515399,
"density_atomic": 0.06260471608444722,
"volume": 31.946475043544787,
"volume_molar": 9.619308474902692,
"formula_full": "Zr1 Co1",
"formula_reduced": "ZrCo",
"formula_anonymous": "AB",
"energy_above_hull": 2.3575927,
"spacegroup": 221
},
{
"id": "jvasp-36162",
"created_at": "2022-09-04T14:37:30.557533Z",
"updated_at": "2022-09-04T14:37:30.557556Z",
"structure_string": "Cr1 Ni3\n1.0\n2.804555 2.804555 0.000000\n2.804555 0.000000 -2.804555\n0.000000 2.804555 -2.804555\nCr Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Ni\n0.749999 0.749999 0.749999 Ni\n0.499999 0.499999 0.499999 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"Ni"
],
"chemical_system": "Cr-Ni",
"density": 8.584349216546446,
"density_atomic": 0.09066467551938279,
"volume": 44.118615955834514,
"volume_molar": 6.642212885560435,
"formula_full": "Cr1 Ni3",
"formula_reduced": "CrNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.0029036500000004,
"spacegroup": 225
},
{
"id": "jvasp-32759",
"created_at": "2022-09-04T14:37:30.581750Z",
"updated_at": "2022-09-04T14:37:30.581766Z",
"structure_string": "Bi8 Br8\n1.0\n4.260515 0.000012 0.482609\n2.106291 6.754354 0.453266\n-0.067624 0.079003 19.638013\nBi Br\n8 8\ndirect\n0.831462 0.340808 0.996260 Bi\n0.168538 0.659191 0.003740 Bi\n0.827814 0.839772 0.504600 Bi\n0.794873 0.257677 0.152607 Bi\n0.205128 0.742321 0.847393 Bi\n0.172186 0.160227 0.495400 Bi\n0.930107 0.791982 0.347777 Bi\n0.069893 0.208017 0.652223 Bi\n0.862545 0.460959 0.813918 Br\n0.561626 0.501642 0.375067 Br\n0.548033 0.021031 0.882864 Br\n0.451968 0.978968 0.117136 Br\n0.438374 0.498357 0.624933 Br\n0.304656 0.077781 0.312897 Br\n0.695344 0.922218 0.687104 Br\n0.137455 0.539039 0.186082 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"Br"
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"density": 6.789006715500562,
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"volume": 565.2713005406794,
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"formula_full": "Bi8 Br8",
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"spacegroup": 12
},
{
"id": "jvasp-36317",
"created_at": "2022-09-04T14:37:08.116402Z",
"updated_at": "2022-09-04T14:37:08.116432Z",
"structure_string": "Mn1 Co1\n1.0\n2.847271 0.000000 -0.000000\n-0.000000 2.847271 0.000000\n0.000000 0.000000 2.847271\nMn Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Co\n",
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"volume": 23.08268974779649,
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"formula_full": "Mn1 Co1",
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"spacegroup": 221
},
{
"id": "jvasp-49917",
"created_at": "2022-09-04T14:37:18.332081Z",
"updated_at": "2022-09-04T14:37:18.332094Z",
"structure_string": "Ti8 O16\n1.0\n2.978453 -0.000000 0.000000\n-0.000000 4.723078 0.000000\n0.000000 0.000000 18.825155\nTi O\n8 16\ndirect\n0.749999 0.567396 0.930653 Ti\n0.250000 0.065691 0.811389 Ti\n0.749999 0.565691 0.688611 Ti\n0.250000 0.067396 0.569346 Ti\n0.749999 0.932605 0.430653 Ti\n0.250000 0.434309 0.311389 Ti\n0.749999 0.934310 0.188611 Ti\n0.250000 0.432604 0.069347 Ti\n0.749999 0.649340 0.116628 O\n0.749999 0.265875 0.261414 O\n0.250000 0.765875 0.238586 O\n0.250000 0.149339 0.383372 O\n0.749999 0.641402 0.360446 O\n0.250000 0.786311 0.484260 O\n0.749999 0.213690 0.515740 O\n0.250000 0.734125 0.738586 O\n0.749999 0.850661 0.616627 O\n0.749999 0.234125 0.761414 O\n0.250000 0.141401 0.139554 O\n0.250000 0.350661 0.883372 O\n0.749999 0.858599 0.860446 O\n0.250000 0.713690 0.984260 O\n0.250000 0.358599 0.639554 O\n0.749999 0.286310 0.015740 O\n",
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"density": 4.006318761303318,
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"volume": 264.82222486384245,
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"formula_full": "Ti8 O16",
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"spacegroup": 62
}
]
}